#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/52/94/1529490.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1529490 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.71207(23) _cell_length_b 9.71207(23) _cell_length_c 7.18946(20) _cod_data_source_file La5Si2NO12.fcf _cod_data_source_block a #BEGIN Tags that were not found in dictionaries: _shelx_f_squared_multiplier 1 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz '-x, -y, -z' '-x, -y, z+1/2' '-x+y, -x, -z+1/2' '-x+y, -x, z' '-y, x-y, -z+1/2' '-y, x-y, z' 'y, -x+y, -z' 'y, -x+y, z+1/2' 'x-y, x, -z' 'x-y, x, z+1/2' 'x, y, -z+1/2' 'x, y, z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 1 0 4.70 4.83 180.00000 0 1 1 8.27 8.24 180.00000 1 1 0 3.88 3.82 180.00000 0 2 0 32.34 36.36 180.00000 1 1 1 33.03 33.72 0.00000 0 2 1 20.16 18.71 180.00000 0 0 2 206.64 180.36 180.00000 0 1 2 40.78 42.80 180.00000 2 1 0 48.59 49.45 180.00000 1 2 0 0.26 0.26 0.00000 2 1 1 603.18 568.47 180.00000 1 2 1 187.35 176.57 180.00000 1 1 2 95.73 89.21 0.00000 0 3 0 337.49 349.13 0.00000 0 2 2 413.03 441.47 180.00000 0 3 1 101.36 94.83 180.00000 2 2 0 5.82 5.93 0.00000 2 1 2 355.87 343.08 180.00000 1 2 2 229.19 220.95 0.00000 3 1 0 228.56 228.62 180.00000 1 3 0 1097.70 1097.98 0.00000 0 1 3 51.76 50.94 180.00000 2 2 1 60.15 59.10 180.00000 3 1 1 375.98 370.08 180.00000 1 3 1 16.49 16.23 0.00000 0 3 2 258.18 256.75 0.00000 1 1 3 421.48 423.49 0.00000 0 4 0 14.56 13.52 0.00000 0 2 3 417.19 433.67 180.00000 0 4 1 5.91 5.72 0.00000 2 2 2 926.73 914.14 0.00000 3 1 2 214.30 211.75 180.00000 1 3 2 373.45 369.00 180.00000 3 2 0 6.83 6.67 180.00000 2 3 0 153.32 149.82 180.00000 2 1 3 1020.91 980.27 0.00000 1 2 3 291.68 280.07 0.00000 3 2 1 351.90 369.06 0.00000 2 3 1 223.50 234.40 0.00000 4 1 0 438.44 401.93 0.00000 1 4 0 292.97 268.57 0.00000 0 3 3 144.07 148.96 0.00000 0 4 2 531.91 545.01 180.00000 0 0 4 691.43 768.32 0.00000 4 1 1 40.59 43.18 0.00000 1 4 1 0.09 0.09 180.00000 0 1 4 33.17 31.92 180.00000 2 2 3 7.53 8.15 180.00000 3 2 2 409.33 428.23 180.00000 2 3 2 29.09 30.44 180.00000 1 1 4 81.35 91.62 0.00000 0 5 0 0.99 1.11 180.00000 3 1 3 180.60 196.06 180.00000 1 3 3 19.13 20.77 180.00000 0 2 4 7.33 7.41 0.00000 0 5 1 272.12 289.48 180.00000 4 1 2 14.33 14.98 180.00000 1 4 2 133.82 139.93 180.00000 3 3 0 0.36 0.33 0.00000 4 2 0 11.11 12.45 0.00000 2 4 0 225.21 252.37 180.00000 0 4 3 21.04 23.07 180.00000 3 3 1 413.90 449.99 0.00000 2 1 4 0.23 0.25 0.00000 1 2 4 342.16 367.76 180.00000 4 2 1 20.29 19.32 180.00000 2 4 1 81.26 77.41 180.00000 0 5 2 764.23 771.39 180.00000 0 3 4 139.82 142.02 0.00000 5 1 0 7.33 7.37 180.00000 1 5 0 18.54 18.63 0.00000 3 2 3 591.11 581.29 180.00000 2 3 3 41.19 40.50 0.00000 5 1 1 148.90 157.77 180.00000 1 5 1 1.36 1.44 180.00000 3 3 2 55.50 58.42 0.00000 1 4 3 193.19 191.27 180.00000 4 1 3 183.55 181.73 180.00000 4 2 2 250.54 248.06 0.00000 2 4 2 11.60 11.48 0.00000 2 2 4 19.36 17.56 180.00000 3 1 4 14.52 14.44 180.00000 1 3 4 227.71 226.34 0.00000 0 1 5 16.29 15.53 180.00000 0 6 0 38.87 37.70 0.00000 5 1 2 246.87 237.11 0.00000 1 5 2 261.98 251.62 180.00000 4 3 0 119.94 120.47 180.00000 3 4 0 7.40 7.44 0.00000 1 1 5 80.64 81.53 0.00000 0 5 3 106.81 108.13 180.00000 0 6 1 98.05 99.35 0.00000 0 4 4 79.81 84.42 0.00000 0 2 5 65.13 64.34 180.00000 4 3 1 717.22 690.74 0.00000 3 4 1 17.43 16.79 180.00000 5 2 0 547.52 516.07 0.00000 2 5 0 270.28 254.76 0.00000 3 3 3 0.84 0.80 0.00000 4 2 3 29.79 28.10 0.00000 2 4 3 599.94 565.89 0.00000 5 2 1 148.00 139.52 180.00000 2 5 1 32.19 30.35 180.00000 3 2 4 27.01 25.45 0.00000 2 3 4 76.09 71.70 180.00000 2 1 5 405.91 408.83 180.00000 1 2 5 130.40 131.34 180.00000 0 6 2 1.00 1.00 180.00000 4 3 2 5.94 6.13 0.00000 3 4 2 376.47 388.46 180.00000 1 4 4 775.69 814.55 0.00000 4 1 4 537.62 564.55 0.00000 6 1 0 186.78 193.59 180.00000 1 6 0 90.75 94.06 180.00000 0 3 5 54.03 53.69 180.00000 5 1 3 163.63 160.56 0.00000 1 5 3 118.31 116.09 180.00000 6 1 1 198.70 201.40 180.00000 1 6 1 319.74 324.08 180.00000 5 2 2 58.18 57.75 0.00000 2 5 2 1065.06 1057.25 0.00000 2 2 5 80.65 80.53 180.00000 0 5 4 135.64 133.92 0.00000 3 1 5 465.75 446.14 180.00000 1 3 5 12.87 12.33 0.00000 4 4 0 54.25 54.46 0.00000 0 6 3 0.02 0.02 0.00000 6 1 2 2.89 2.95 0.00000 1 6 2 252.19 256.98 0.00000 3 3 4 70.21 73.40 0.00000 5 3 0 39.10 40.46 0.00000 3 5 0 26.06 26.97 0.00000 0 7 0 73.90 76.41 180.00000 0 0 6 684.42 677.83 180.00000 4 3 3 1438.23 1420.19 180.00000 3 4 3 6.02 5.94 180.00000 4 4 1 572.77 564.95 180.00000 4 2 4 289.22 305.52 180.00000 2 4 4 223.59 236.19 180.00000 0 4 5 1.41 1.47 0.00000 0 1 6 43.17 44.78 180.00000 5 3 1 21.94 22.58 180.00000 3 5 1 36.36 37.43 180.00000 0 7 1 241.38 248.47 0.00000 5 2 3 240.98 223.17 0.00000 2 5 3 35.55 32.93 0.00000 6 2 0 60.07 59.36 180.00000 2 6 0 0.29 0.28 180.00000 1 1 6 486.19 491.24 0.00000 1 5 4 23.60 23.60 0.00000 5 1 4 360.30 360.27 180.00000 3 2 5 247.69 246.03 0.00000 2 3 5 305.43 303.38 0.00000 0 2 6 14.50 14.40 180.00000 6 2 1 0.01 0.01 180.00000 2 6 1 239.22 238.34 180.00000 4 4 2 56.49 56.81 180.00000 5 3 2 896.15 853.11 180.00000 3 5 2 210.28 200.18 180.00000 0 7 2 146.95 139.85 180.00000 4 1 5 19.99 20.36 0.00000 1 4 5 5.71 5.82 180.00000 6 1 3 5.75 5.90 0.00000 1 6 3 482.24 494.55 0.00000 2 1 6 1.58 1.68 180.00000 1 2 6 25.03 26.60 180.00000 7 1 0 0.42 0.40 180.00000 1 7 0 121.83 117.16 0.00000 6 2 2 175.66 173.42 180.00000 2 6 2 17.08 16.86 0.00000 0 6 4 227.01 232.20 0.00000 0 3 6 0.94 0.97 0.00000 7 1 1 0.94 0.96 0.00000 1 7 1 3.34 3.41 180.00000 4 3 4 158.16 150.82 180.00000 3 4 4 53.63 51.15 0.00000 0 5 5 350.97 347.21 180.00000 4 4 3 0.03 0.03 0.00000 5 2 4 222.96 217.50 0.00000 2 5 4 22.55 21.99 180.00000 5 4 0 297.25 291.48 0.00000 4 5 0 2.87 2.82 180.00000 3 3 5 513.48 507.10 0.00000 2 2 6 365.69 360.32 0.00000 5 3 3 33.46 32.87 0.00000 3 5 3 33.06 32.48 0.00000 0 7 3 28.61 28.12 0.00000 4 2 5 7.47 7.35 180.00000 2 4 5 30.40 29.93 180.00000 1 3 6 1535.70 1513.93 180.00000 3 1 6 31.68 31.23 0.00000 5 4 1 17.67 17.42 180.00000 4 5 1 291.43 287.38 0.00000 1 7 2 78.34 76.82 180.00000 7 1 2 435.11 426.67 0.00000 6 3 0 1.62 1.61 0.00000 3 6 0 63.85 63.70 180.00000 0 8 0 287.33 282.76 0.00000 6 2 3 432.87 421.56 0.00000 2 6 3 186.77 181.89 0.00000 6 3 1 197.89 192.17 0.00000 3 6 1 194.15 188.54 0.00000 1 6 4 469.86 442.19 180.00000 6 1 4 171.56 161.46 180.00000 5 1 5 142.63 136.41 180.00000 1 5 5 12.85 12.29 180.00000 0 4 6 207.74 199.04 180.00000 0 8 1 19.10 18.35 0.00000 5 4 2 332.39 314.76 180.00000 4 5 2 146.71 138.93 180.00000 7 2 0 39.76 39.58 180.00000 2 7 0 18.16 18.08 180.00000 0 1 7 0.00 0.00 0.00000 2 3 6 18.15 18.11 0.00000 3 2 6 44.39 44.29 180.00000 7 2 1 32.42 32.33 0.00000 2 7 1 0.04 0.04 180.00000 3 6 2 207.37 207.21 0.00000 6 3 2 109.59 109.51 0.00000 7 1 3 5.17 4.99 180.00000 1 7 3 127.84 123.43 180.00000 0 8 2 526.26 509.45 180.00000 4 4 4 397.69 391.07 0.00000 1 1 7 6.99 6.96 0.00000 0 6 5 97.69 98.22 0.00000 4 1 6 10.84 10.94 180.00000 1 4 6 5.51 5.56 180.00000 5 3 4 240.71 257.20 0.00000 3 5 4 26.99 28.84 0.00000 0 7 4 1.33 1.42 180.00000 0 2 7 10.42 11.29 180.00000 4 3 5 385.05 417.85 0.00000 3 4 5 17.67 19.17 180.00000 7 2 2 3.53 3.49 180.00000 2 7 2 146.92 145.30 180.00000 8 1 0 193.07 191.92 0.00000 1 8 0 0.82 0.82 0.00000 5 2 5 95.21 95.64 180.00000 2 5 5 30.35 30.48 180.00000 5 4 3 1.03 1.04 0.00000 4 5 3 66.39 66.86 180.00000 6 2 4 0.21 0.22 0.00000 2 6 4 87.18 90.18 180.00000 2 1 7 423.04 441.12 0.00000 1 2 7 151.47 157.94 0.00000 0 5 6 108.40 111.51 180.00000 8 1 1 12.14 12.32 180.00000 1 8 1 85.81 87.05 180.00000 5 5 0 289.16 286.19 0.00000 6 3 3 5.80 5.79 180.00000 3 6 3 25.50 25.47 0.00000 6 4 0 49.54 48.53 0.00000 4 6 0 37.36 36.60 180.00000 0 3 7 51.33 50.34 0.00000 3 3 6 254.75 250.64 0.00000 0 8 3 43.74 43.03 180.00000 5 5 1 112.74 110.75 180.00000 6 1 5 205.73 207.59 180.00000 1 6 5 200.96 202.78 180.00000 4 2 6 36.83 37.43 180.00000 2 4 6 96.25 97.81 0.00000 4 6 1 252.02 258.32 0.00000 6 4 1 33.67 34.51 0.00000 8 1 2 0.29 0.28 180.00000 1 8 2 380.72 361.59 180.00000 7 1 4 13.62 13.49 180.00000 1 7 4 435.67 431.56 0.00000 7 3 0 123.00 123.25 180.00000 3 7 0 27.41 27.47 180.00000 2 2 7 17.65 17.79 0.00000 2 7 3 112.76 115.28 180.00000 7 2 3 0.07 0.07 180.00000 1 3 7 15.70 16.00 180.00000 3 1 7 30.60 31.19 0.00000 1 5 6 136.43 138.43 180.00000 5 1 6 0.30 0.31 180.00000 7 3 1 27.17 27.48 0.00000 3 7 1 14.85 15.02 0.00000 5 5 2 67.53 67.99 0.00000 0 9 0 168.44 167.26 0.00000 6 4 2 4.88 4.84 0.00000 4 6 2 63.12 62.62 180.00000